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The catalytic pathway of horseradish peroxidase at high resolution
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Tyrosine Radical Formation in the Reaction of Wild Type and Mutant Cytochrome P450cam with Peroxy Acids
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Calculation of the electronic structure and spectra of model cytochrome P450 compound I
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Controlled Metalation of Self‐Assembled Porphyrin Nanoarrays in Two Dimensions
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Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis
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Neuronal Nitric Oxide Synthase Self-inactivates by Forming a Ferrous-Nitrosyl Complex during Aerobic Catalysis
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How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study
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The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM
1989
Quantum chemical calculations of spectroscopic properties of metalloproteins and model compounds: EPR and Mössbauer properties
2003
Engineered Alkane‐Hydroxylating Cytochrome P450BM3 Exhibiting Nativelike Catalytic Properties
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The status of high-valent metal oxo complexes in the P450 cytochromes
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The biology and chemistry of high-valent iron–oxo and iron–nitrido complexes
2012
Cytochrome c peroxidase compound ES is identical with horseradish peroxidase compound I in iron-ligand distances
1986
Effect of Imidazole and Phenolate Axial Ligands on the Electronic Structure and Reactivity of Oxoiron(IV) Porphyrin π-Cation Radical Complexes: Drastic Increase in Oxo-Transfer and Hydrogen Abstraction Reactivities
2009
Exploring the Catalytic Promiscuity of Phenolic Acid Decarboxylases: Asymmetric, 1,6‐Conjugate Addition of Nucleophiles Across 4‐Hydroxystyrene
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Cyclopropanations via Heme Carbenes: Basic Mechanism and Effects of Carbene Substituent, Protein Axial Ligand, and Porphyrin Substitution
2017
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
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Improving Protein Expression, Stability, and Function with ProteinMPNN
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Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework
2019
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions
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Multicopper Oxidases and Oxygenases
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Nanozymes: Classification, Catalytic Mechanisms, Activity Regulation, and Applications
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Electronic Structure and Reactivity of Low-Spin Fe(III)−Hydroperoxo Complexes: Comparison to Activated Bleomycin
2002
Mössbauer study of iron bleomycin and its activation intermediates.
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A convenient, high-yielding, chromatography-free method for the insertion of transition metal acetates into porphyrins
2012
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
2018 Standout
Studies of the oxygen binding site of cytochrome P-450. Nitric oxide as a spin-label probe.
1978
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
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Heme ligand replacement reactions of cytochrome P-450. Characterization of the bonding atom of the axial ligand trans to thiolate as oxygen.
1982
A role for Asp-251 in cytochrome P-450cam oxygen activation.
1994
Probing Structure-Function Relations in Heme-Containing Oxygenases and Peroxidases
1988 Science
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
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Nitrogen–doped graphitized carbon shell encapsulated NiFe nanoparticles: A highly durable oxygen evolution catalyst
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The structure of the paramagnetic oxygen intermediate in the cytochrome c oxidase reaction.
1982
Covalent organic frameworks comprising cobalt porphyrins for catalytic CO 2 reduction in water
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Slow magnetization dynamics in a series of two-coordinate iron(ii ) complexes
2012
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
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Chemical mechanisms for cytochrome P-450 hydroxylation: evidence for acylation of heme-bound dioxygen.
1980
Characterization of the Relevant Excited States in the Photodissociation of CO-Ligated Hemoglobin and Myoglobin
2002
Facile Solvent-Free Synthesis of Thin Iron Porphyrin COFs on Carbon Cloth Electrodes for CO2 Reduction
2019
STRUCTURE, SPECTRA, AND FUNCTION OF MODEL CYTOCHROME P450
1981
The stereochemistry of peroxidase catalysis.
1980
Hydrocarbon Hydroxylation by Cytochrome P450 Enzymes
2009
Identification by ENDOR of Trp 191 as the Free-Radical Site in Cytochrome c Peroxidase Compound ES
1989 Science
Catalytic Dehydrogenative Cross-Coupling: Forming Carbon−Carbon Bonds by Oxidizing Two Carbon−Hydrogen Bonds
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Three-Dimensional Phthalocyanine Metal-Catecholates for High Electrochemical Carbon Dioxide Reduction
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Capture and characterization of a reactive haem–carbenoid complex in an artificial metalloenzyme
2018
Growth mechanisms and anisotropic softness–dependent conductivity of orientation-controllable metal–organic framework nanofilms
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Interlocked Macromolecules
1999 StandoutNobel
Hydroxylation of Camphor by Reduced Oxy-Cytochrome P450cam: Mechanistic Implications of EPR and ENDOR Studies of Catalytic Intermediates in Native and Mutant Enzymes
2001
Electron paramagnetic resonance detectable states of cytochrome P-450cam
1980
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
2004 Standout
Cobalt-substituted cytochrome P-450cam.
1981
Reductive dioxygen activation by use of artificial P-450 systems
1988
The Chemistry and Biochemistry of Vanadium and the Biological Activities Exerted by Vanadium Compounds
2004 Standout
Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins
2017
Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination
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Crystal structure of substrate-free Pseudomonas putida cytochrome P-450
1986
From simple to supramolecular cytochrome P450 mimics
2000
Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles
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The Electronic Configurations of Catalases and Peroxidases in their High Oxidation States: A Definitive Assessment
1981
Iron-Sulfur Clusters: Nature's Modular, Multipurpose Structures
1997 StandoutScience
Activation of C−H Bonds by Metal Complexes
1997 Standout
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
The effect of cytochrome P-450cam on the NMR relaxation rate of water protons.
1979
Chemomimetic Biocatalysis: Exploiting the Synthetic Potential of Cofactor-Dependent Enzymes To Create New Catalysts
2015 StandoutNobel
Ionic Liquid (Molten Salt) Phase Organometallic Catalysis
2002 Standout
Theoretical Perspectives on the Reaction Mechanism of Serine Proteases: The Reaction Free Energy Profiles of the Acylation Process
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In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy
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The Halogen Bond
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The Pressure Dependence of the Spin Equilibrium in Camphor‐Bound Ferric Cytochrome P‐450
1982
Nitric oxide inhibits neuronal nitric oxide synthase by interacting with the heme prosthetic group. Role of tetrahydrobiopterin in modulating the inhibitory action of nitric oxide.
1994 StandoutNobel
Halogen bonding in metal–organic–supramolecular networks
2009
Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
2005
Lanthanide Single-Molecule Magnets
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The Elusive Oxidant Species of Cytochrome P450 Enzymes: Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations
2002
Photolysis ofcis- andtrans-[FeIII(cyclam)(N3)2]+Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species
1999
A Stable Aquairon(III ) Complex with S = 1: Structure and Spectroscopic Properties
1995
Asymmetric Enzymatic Synthesis of Allylic Amines: A Sigmatropic Rearrangement Strategy
2016 StandoutNobel
X-ray absorption spectroscopic studies of high valent iron porphyrins. Horseradish peroxidase compounds I and II and synthetic models.
1983
The Catalytic Pathway of Cytochrome P450cam at Atomic Resolution
2000 Science
Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions
2018 StandoutNobel
Inter‐Ring Interactions in Dimers of Magnesium π‐Cation Radicals: Control by Solvent Polarity
1997
Mechanistic Studies on Synthetic Fe−S-Based Clusters and Their Relevance to the Action of Nitrogenases
2005 StandoutNobel
X-ray absorption studies of intermediates in peroxidase activity
1984
First- and second-sphere coordination chemistry of alkali metal crown ether complexes
2001
Spectroscopic Characterization of an FeIV Intermediate Generated by Reaction of XO− (X = Cl, Br) with an FeII Complex Bearing a Pentadentate Non‐Porphyrinic Ligand − Hydroxylation and Epoxidation Activity
2004
Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site
2023 StandoutNobel
1,2-Bis(pyridine-2-carboxamido)benzenate(2−), (bpb)2-: A Noninnocent Ligand. Syntheses, Structures, and Mechanisms of Formation of [(n-Bu)4N][FeIV2(μ-N)(bpb)2(X)2] (X = CN-, N3-) and the Electronic Structures of [MIII(bpbox1)(CN)2] (M = Co, Fe)
2000
Mononuclear (Nitrido)iron(V) and (Oxo)iron(IV) Complexes via Photolysis of [(cyclam-acetato)FeIII(N3)]+ and Ozonolysis of [(cyclam-acetato)FeIII(O3SCF3)]+ in Water/Acetone Mixtures
2000
Spectroscopic Properties and Electronic Structure of Low-Spin Fe(III)−Alkylperoxo Complexes: Homolytic Cleavage of the O−O Bond
2001
Carbon Dioxide Capture in Metal–Organic Frameworks
2011 Standout
Modeling the Oxygen Activation Chemistry of Methane Monooxygenase and Ribonucleotide Reductase
1996
Aconitase as Iron−Sulfur Protein, Enzyme, and Iron-Regulatory Protein
1996
Single Cobalt Atom and N Codoped Carbon Nanofibers as Highly Durable Electrocatalyst for Oxygen Reduction Reaction
2017
Enzyme-Controlled Nitrogen-Atom Transfer Enables Regiodivergent C–H Amination
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The Catalytic Valorization of Lignin for the Production of Renewable Chemicals
2010 Standout
Structure and Chemistry of Cytochrome P450
2005 Standout
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
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The Nature and Reactivity of Ferryl Heme in Compounds I and II
2018
Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450
2015 StandoutNobel
Works of Charles E. Schulz being referenced
Comparison of Cyanide and Carbon Monoxide as Ligands in Iron(II) Porphyrinates
2009
New Perspectives on Iron–Ligand Vibrations of Oxyheme Complexes
2011
Spectroscopic and Computational Study of a Nonheme Iron Nitrosyl Center in a Biosynthetic Model of Nitric Oxide Reductase
2014
Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts
2016
Discovery of acetylene hydratase activity of the iron–sulphur protein IspH
2012
On Spin Hamiltonian fits to Mössbauer spectra of high-spin Fe(II) porphyrinate systems
2006
Cyanide: A Strong‐Field Ligand for Ferrohemes and Hemoproteins?
2008
Metalloporphyrin Mixed-Valence π-Cation Radicals: [Fe(oxoOEC•/2)(Cl)]2SbCl6, Structure, Magnetic Properties, and Near-IR Spectra
2011
Metalloporphyrin .pi.-Cation Radicals. Molecular Structure and Spin Coupling in a Vanadyl Octaethylporphyrinate Derivative. An Unexpected Spin Coupling Path
1994
Horseradish peroxidase compound I: evidence for spin coupling between the heme iron and a ‘free’ radical
1979
Coordination of Diatomic Ligands to Heme: Simply CO
2006
An Experimental and Density Functional Theoretical Investigation of Iron-57 Mössbauer Quadrupole Splittings in Organometallic and Heme-Model Compounds: Applications to Carbonmonoxy-Heme Protein Structure
1998
Molecular Structure of an Fe(IV) Species: {[Fe(TTP)]2N}SbCl6
2000
Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn− and Renner−Teller Distortions in Rigorously Linear Coordination
2009
Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations
2013
[Fe(OEP•)(X)]+ π-Cation Radicals: Characterization and Spin−Spin Interactions
1997
MÖSSBAUER PARAMETERS OF Fe4+HEME PROTEINS OF SPIN S = 1
1979
Cytochrome P450cam and its complexes, Mo¨ssbauer parameters of the heme iron
1976
Spectroscopic and Computational Study of a Nonheme Iron Nitrosyl Center in a Biosynthetic Model of Nitric Oxide Reductase
2014
New Insights on the Electronic and Molecular Structure of Cyanide-Ligated Iron(III) Porphyrinates
2007
Structure of the Deoxymyoglobin Model [Fe(TPP)(2-MeHIm)] Reveals Unusual Porphyrin Core Distortions
2002
Characterization of the Bis(azido)(meso-tetraphenylporphinato)ferrate(III) Anion. An Unusual Spin-Equilibrium System
1997
Electronic Configuration Assignment and the Importance of Low-Lying Excited States in High-Spin Imidazole-Ligated Iron(II) Porphyrinates
2005
Characterization of iron octaethylporphyrin .pi.-cation radicals
1992
Electronic Configuration of High-Spin Imidazole-Ligated Iron(II) Octaethylporphyrinates
2006
Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn−Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2
2008
Moessbauer and electron paramagnetic resonance studies of horseradish peroxidase and its catalytic intermediates
1984
Mössbauer and electron paramagnetic resonance studies of chloroperoxidase following mechanism-based inactivation with allylbenzene
1996
Spin fluctuation rates from Mössbauer spectra of high-spin ferrous rubredoxin
1979
Electronic Configuration and Ligand Nature of Five-Coordinate Iron Porphyrin Carbene Complexes: An Experimental Study
2017
Four-Coordinate Iron(II) Porphyrinates: Electronic Configuration Change by Intermolecular Interaction
2007